smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(N3CC[NH+](C)CC3)n(CCC#N)c2c(=O)n(C)c1=O	ZINC000004540868	205713160	/nfs/dbraw/zinc/71/31/60/205713160.db2.gz	WKPRZTKKBOKMBG-UHFFFAOYSA-N	1	1	331.380	-0.901	40	30		EBEBMO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCCO)n(C)c1=O	ZINC000010335034	211165818	/nfs/dbraw/zinc/16/58/18/211165818.db2.gz	FRZFTLXXPXTIBI-UHFFFAOYSA-N	1	1	332.364	-0.339	40	30		EBEBMO
C=CCN1c2ccccc2[C@]2(NC(=N)NC(N3CCOCC3)=[NH+]2)C1=O	ZINC000019330852	212017003	/nfs/dbraw/zinc/01/70/03/212017003.db2.gz	RATBWUYQHLVBEE-QGZVFWFLSA-N	1	1	340.387	-0.022	40	30		EBEBMO
COc1ccc(S(=O)(=O)N=C2NCN(CC[NH+](C)C)CN2)cc1	ZINC000040387121	213295698	/nfs/dbraw/zinc/29/56/98/213295698.db2.gz	KEGWJVFDAKBVKM-UHFFFAOYSA-N	1	1	341.437	-0.289	40	30		EBEBMO
C=CCN1c2ccccc2[C@@]2(NC(=N)NC(N3CCOCC3)=[NH+]2)C1=O	ZINC000019330856	377556571	/nfs/dbraw/zinc/55/65/71/377556571.db2.gz	RATBWUYQHLVBEE-KRWDZBQOSA-N	1	1	340.387	-0.022	40	30		EBEBMO